(2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide

C18H19FN2O4S — CID 110196887

IUPAC(2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4S/c1-20-18(22)17-11-15(25-14-5-3-2-4-6-14)12-21(17)26(23,24)16-9-7-13(19)8-10-16/h2-10,15,17H,11-12H2,1H3,(H,20,22)/t15-,17+/m0/s1
InChIKeyBKHKZVLPYPKYQP-DOTOQJQBSA-N
MW378.43 g/mol
LogP1.78
Rot. Bonds5

About (2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide

(2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide (PubChem CID 110196887) has the molecular formula C18H19FN2O4S and a molecular weight of 378.43 g/mol. Its IUPAC name is (2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide
PubChem CID110196887
Molecular FormulaC18H19FN2O4S
Molecular Weight378.43 g/mol
Exact Mass378.10
IUPAC Name(2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide
SMILESCNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H19FN2O4S/c1-20-18(22)17-11-15(25-14-5-3-2-4-6-14)12-21(17)26(23,24)16-9-7-13(19)8-10-16/h2-10,15,17H,11-12H2,1H3,(H,20,22)/t15-,17+/m0/s1
InChIKeyBKHKZVLPYPKYQP-DOTOQJQBSA-N
XLogP1.78
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The IUPAC name of (2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide (CID 110196887) is (2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide is CNC(=O)[C@H]1C[C@H](Oc2ccccc2)CN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of (2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
The InChIKey is BKHKZVLPYPKYQP-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H19FN2O4S/c1-20-18(22)17-11-15(25-14-5-3-2-4-6-14)12-21(17)26(23,24)16-9-7-13(19)8-10-16/h2-10,15,17H,11-12H2,1H3,(H,20,22)/t15-,17+/m0/s1.
What are the key properties of (2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide?
(2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-1-(4-fluorophenyl)sulfonyl-N-methyl-4-phenoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 110196887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).